[Ifeffit] LCF

Niken Wijaya niken.wijaya at monash.edu
Tue Feb 7 22:45:52 CST 2012


Dear Everyone,

I did S K-edge XANES spectra for a variety of standard mixtures 
(disulphide and thiophene) with known different concentrations. I also 
attached the ATHENA project file here.
My problem is: some of the fitting results I acquired using LCF do 
really not represent the actual weight percentage. The condition of my 
standards mixtures is as follow:

For sample S3: ~59% disulphide and 41% thiophene. The reported value 
from LCF is 81.6% disulphide and 18.4% thiophene.
For sample S4: ~79% disulphide and 21% thiophene. The reported value 
from LCF is 95% disulphide and 5% thiophene.

I am not really sure what I did wrong, but I really hope the experts 
here can help me with this issue.

Regards,
Niken
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Fitting accuracy-athena for backgrd remov.prj
Type: application/octet-stream
Size: 18846 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20120208/c4be93a8/attachment.obj>


More information about the Ifeffit mailing list